| SpectraBase Compound ID | ELY8GrHVtND |
|---|---|
| InChI | InChI=1S/C63H98O29/c1-26-46-47(88-51-43(76)38(71)30(67)22-81-51)45(78)53(84-26)90-48-39(72)31(68)23-82-54(48)92-56(79)63-15-13-57(2,3)17-28(63)27-9-10-35-59(5)18-29(66)50(60(6,25-65)34(59)11-12-62(35,8)61(27,7)14-16-63)91-55-49(42(75)40(73)32(21-64)86-55)89-52-44(77)41(74)33(24-83-52)85-36(69)19-58(4,80)20-37(70)87-46/h9,26,28-35,38-55,64-68,71-78,80H,10-25H2,1-8H3/t26-,28?,29-,30-,31+,32+,33-,34?,35?,38+,39+,40+,41-,42-,43-,44+,45+,46-,47-,48-,49+,50-,51+,52-,53-,54+,55-,58-,59-,60-,61+,62+,63-/m0/s1 |
| InChIKey | MCPFEAJYKIXPQF-PXWJNLFWSA-N |
| Mol Weight | 1319.4 g/mol |
| Molecular Formula | C63H98O29 |
| Exact Mass | 1318.619377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ghlhxvmaflb |
|---|---|
| Name | TUBEIMOSIDE-I |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H98O29 |
| InChI | InChI=1S/C63H98O29/c1-26-46-47(88-51-43(76)38(71)30(67)22-81-51)45(78)53(84-26)90-48-39(72)31(68)23-82-54(48)92-56(79)63-15-13-57(2,3)17-28(63)27-9-10-35-59(5)18-29(66)50(60(6,25-65)34(59)11-12-62(35,8)61(27,7)14-16-63)91-55-49(42(75)40(73)32(21-64)86-55)89-52-44(77)41(74)33(24-83-52)85-36(69)19-58(4,80)20-37(70)87-46/h9,26,28-35,38-55,64-68,71-78,80H,10-25H2,1-8H3/t26-,28?,29-,30-,31+,32+,33-,34?,35?,38+,39+,40+,41-,42-,43-,44+,45+,46-,47-,48-,49+,50-,51+,52-,53-,54+,55-,58-,59-,60-,61+,62+,63-/m0/s1 |
| InChIKey | MCPFEAJYKIXPQF-PXWJNLFWSA-N |
| Literature Reference Author | R.KASAI,M.MIYAKOSHI,R.L.NIE,J.ZHOU,K.MATSUMOTO,T.MORITA,M.NI SHI,K.MIYAHARA,O.TAN |
| Literature Reference Citation | PHYTOCHEM.,27,1439(1988) |
| Literature Reference DOI | 10.1016/0031-9422(88)80212-7 |
| Molecular Weight | 1319.454 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK556 |